PubChemLite - 1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-cyclohexyl-4-methylene- (C30H36F2N2O2)

Structural Information

Molecular Formula

SMILES

C=C1C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5CCCCC5

InChI

InChI=1S/C30H36F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h9-16,27-28H,1-8,17-21H2

InChIKey

WMZXBIYCKCIDTB-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	495.28176	226.7
[M+Na]+	517.26370	228.3
[M-H]-	493.26720	234.0
[M+NH4]+	512.30830	232.0
[M+K]+	533.23764	221.1
[M+H-H2O]+	477.27174	211.6
[M+HCOO]-	539.27268	232.3
[M+CH3COO]-	553.28833	230.4
[M+Na-2H]-	515.24915	217.5
[M]+	494.27393	215.6
[M]-	494.27503	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.28176

226.7

[M+Na]+

517.26370

228.3

[M-H]-

493.26720

234.0

[M+NH4]+

512.30830

232.0

[M+K]+

533.23764

221.1

[M+H-H2O]+

477.27174

211.6

[M+HCOO]-

539.27268

232.3

[M+CH3COO]-

553.28833

230.4

[M+Na-2H]-

515.24915

217.5

[M]+

494.27393

215.6

[M]-

494.27503

215.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-cyclohexyl-4-methylene-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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